SCHEMBL224940

SCHEMBL224940

O=C1NC(=O)C(c2cn3c4c(cccc24)CCC3)=C1c1c[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.61
CCND1 P24385 6/20 0.61
OPA1 O60313 1/20 0.58
EIF5B O60841 1/20 0.58
MET P08581 1/20 0.58
HMOX2 P30519 1/20 0.58
PRKACA P17612 7/20 0.56
PRKACG P22612 7/20 0.56
PRKACB P22694 7/20 0.56
CAMK2D Q13557 6/20 0.56
PRKCA P17252 5/20 0.56
PRKCH P24723 5/20 0.56
PRKCE Q02156 5/20 0.56
PRKCD Q05655 5/20 0.56
PRKCB P05771 4/20 0.56
PRKCQ Q04759 4/20 0.56
CCNE2 O96020 2/20 0.56
CCNE1 P24864 2/20 0.56
CDK2 P24941 2/20 0.56
PRKCG P05129 2/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6329959 0.97 CDK4 (0.60) CDK4CCND1OPA1EIF5BMET
SCHEMBL2343710 0.93 CDK4 (0.63) CDK4CCND1OPA1EIF5BMET
SCHEMBL2881681 0.93 CDK4 (0.54) CDK4CCND1OPA1EIF5BMET
SCHEMBL3047624 0.88 OPA1 (0.51) CDK4CCND1OPA1EIF5BMET
SCHEMBL6327465 0.88 CDK4 (0.56) CDK4CCND1OPA1EIF5BMET
SCHEMBL6326531 0.88 CDK4 (0.56) CDK4CCND1OPA1EIF5BMET
SCHEMBL6332262 0.88 CDK4 (0.68) CDK4CCND1OPA1EIF5BMET
SCHEMBL1395823 0.88 CAMK2D (0.56) CDK4CCND1OPA1EIF5BMET
SCHEMBL6325214 0.87 SIRT2 (0.60) CDK4CCND1OPA1EIF5BMET
SCHEMBL6325335 0.87 OPA1 (0.48) CDK4CCND1OPA1EIF5BMET

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000005-B2 Highly pure pyrroloquinolinyl-pyrrole-2,5-dione and pyrroloquinolinyl-pyrrolidine-2,5-dione and methods of preparing same ARQULE, INC. (US) 2015-04-07 US claimed
EP-2841069-A1 HIGHLY PURE PYRROLOQUINOLINYL-PYRROLE-2,5-DIONE AND PYRROLOQUINOLINYL-PYRROLIDINE-2,5-DIONE AND METHODS OF PREPARING SAME ARQULE, INC. (US) 2015-03-04 EP claimed
WO-2013162714-A1 HIGHLY PURE PYRROLOQUINOLINYL-PYRROLE-2,5-DIONE AND PYRROLOQUINOLINYL-PYRROLIDINE-2,5-DIONE AND METHODS OF PREPARING SAME ARQULE, INC. (US) 2013-10-31 WO claimed
US-20130281699-A1 Highly Pure Pyrroloquinolinyl-Pyrrole-2,5-Dione and Pyrroloquinolinyl-Pyrrolidine-2,5-Dione and Methods of Preparing Same ARQULE, INC. (US) 2013-10-24 US claimed
US-9642847-B2 Combinational compositions and methods for treatment of cancer ARQULE, INC. (US) 2017-05-09 US disclosed
US-9642847-B2 Combinational compositions and methods for treatment of cancer ARQULE, INC. (US) 2017-05-09 US disclosed
US-9642847-B2 Combinational compositions and methods for treatment of cancer ARQULE, INC. (US) 2017-05-09 US disclosed
US-20160355515-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE, INC. 2016-12-08 US disclosed
US-20160355515-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE, INC. 2016-12-08 US disclosed
US-20160355515-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE, INC. 2016-12-08 US disclosed
US-9499540-B2 Purified pyrroloquinolinyl-pyrrolidine-2,5-dione compositions and methods for preparing and using same ARQULE, INC. (US) 2016-11-22 US disclosed
US-9499540-B2 Purified pyrroloquinolinyl-pyrrolidine-2,5-dione compositions and methods for preparing and using same ARQULE, INC. (US) 2016-11-22 US disclosed
US-20100221251-A1 Compositions and Methods for Treatment of Cancer ARQULE, INC. (US) 2010-09-02 US disclosed
WO-2010093789-A2 COMBINATIONAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE, INC. (US) 2010-08-19 WO disclosed
US-7713969-B2 (+)-cis-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1yl)-4(1H-indol-3-yl) pyrrolidine-2,5-dione; lung, colon, breast, pancreatic, prostate cancers, chronic myelogenous leukemia, melanoma, or ovarian cancer ARQULE, INC. (US) 2010-05-11 US disclosed
US-7713969-B2 (+)-cis-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1yl)-4(1H-indol-3-yl) pyrrolidine-2,5-dione; lung, colon, breast, pancreatic, prostate cancers, chronic myelogenous leukemia, melanoma, or ovarian cancer ARQULE, INC. (US) 2010-05-11 US disclosed
US-7713969-B2 (+)-cis-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1yl)-4(1H-indol-3-yl) pyrrolidine-2,5-dione; lung, colon, breast, pancreatic, prostate cancers, chronic myelogenous leukemia, melanoma, or ovarian cancer ARQULE, INC. (US) 2010-05-11 US disclosed
US-20060223760-A1 (+)-cis-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1yl)-4(1H-indol-3-yl) pyrrolidine-2,5-dione; lung, colon, breast, pancreatic, prostate cancers, chronic myelogenous leukemia, melanoma, or ovarian cancer ARQULE, INC. 2006-10-05 US disclosed
US-6867198-B2 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY (US) 2005-03-15 US disclosed
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-12-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130281699-A1 Highly Pure Pyrroloquinolinyl-Pyrrole-2,5-Dione and Pyrroloquinolinyl-Pyrrolidine-2,5-Dione and Methods of Preparing Same DHPS, QDPR, IDO1 CDK4 705/4885CCND1 1533/4885OPA1 100/4885
US-20160355515-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER MKI67, NUP205, TP53 CDK4 41/4885CCND1 253/4885OPA1 88/4885
US-20100221251-A1 Compositions and Methods for Treatment of Cancer PDCD5, TP53, NUP205 CDK4 73/4885CCND1 327/4885OPA1 27/4885
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 CDK4 5/4885CCND1 70/4885OPA1 1798/4885
US-20060223760-A1 (+)-cis-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1yl)-4(1H-indol-3-yl) pyrrolidine-2,5-dione; lung, colon, breast, pancreatic, prostate cancers, chronic myelogenous leukemia, melanoma, or ovarian cancer MCL1, BRCA1, IDO1 CDK4 33/4885CCND1 42/4885OPA1 29/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.